Comparative Anti–Alzheimer’s Potential Evaluation of Curcumin and Curcumin Analogues obtained from ZINC Database: An in-Silico Validation

Abstract

Curcumin and its eleven analogues obtained from the ZINC database were screened for its anti-Alzheimer’s potential validated through in silico approach. Curcumin, eleven curcumin analogues from the ZINC database, and six standard anti-Alzheimer’s drugs were obtained from SWISS ADME and Pub chem database. All obtained molecules were subjected to drug-likeness, molecular docking, and ADMET analysis. Curcumin and eleven curcumin analogues show no violations against five drug-likeness rules, whereas 2 standard drugs (CID¬_11269353, CID_46883536) out of 5 screened standard drug molecules shows violations in drug likeness property. Curcumin and curcumin analogues possess docking scores in the range of -7.5 to 9.9 Kcal/mol, whereas reference standard drugs docking score lies in the range of -6.4 to -11.0 Kcal/mol against all three Alzheimer’s disease molecular targets. Finally, our present study has proven that curcumin analogues possess some novel anti-Alzheimer’s properties over curcumin and standard reference drug. It needs to be validated and commercialized after in vivo preclinical trials.